CID 466488

[(2s,4s)-4-(6-aminopurin-9-yl)-3-methylene-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C=C1[C@@H](CO[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5O2/c1-6-7(3-18-8(6)2-17)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
ZRANXKJKCWABOC-HTQZYQBOSA-N
Compound name
[(2S,4S)-4-(6-aminopurin-9-yl)-3-methylideneoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

247.10692 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.114196 154.8
[M+Na]+ 270.096138 165.4
[M-H]- 246.099644 157.5
[M+NH4]+ 265.140743 169.1
[M+K]+ 286.070078 161.8
[M+H-H2O]+ 230.104180 146.4
[M+HCOO]- 292.105121 173.3
[M+CH3COO]- 306.120771 166.6
[M+Na-2H]- 268.081586 157.2
[M]+ 247.10637142 154.8
[M]- 247.10746858 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.